Discovery of Potent and Selective RSK Inhibitors as Biological Probes

J Med Chem. 2015 Sep 10;58(17):6766-83. doi: 10.1021/acs.jmedchem.5b00450. Epub 2015 Aug 13.

Abstract

While the p90 ribosomal S6 kinase (RSK) family has been implicated in multiple tumor cell functions, the full understanding of this kinase family has been restricted by the lack of highly selective inhibitors. A bis-phenol pyrazole was identified from high-throughput screening as an inhibitor of the N-terminal kinase of RSK2. Structure-based drug design using crystallography, conformational analysis, and scaffold morphing resulted in highly optimized difluorophenol pyridine inhibitors of the RSK kinase family as demonstrated cellularly by the inhibition of YB1 phosphorylation. These compounds provide for the first time in vitro tools with an improved selectivity and potency profile to examine the importance of RSK signaling in cancer cells and to fully evaluate RSK as a therapeutic target.

MeSH terms

  • Animals
  • Cell Line
  • Crystallography, X-Ray
  • Humans
  • Male
  • Mice
  • Models, Molecular
  • Phosphorylation
  • Protein Conformation
  • Pyrazoles / chemical synthesis
  • Pyrazoles / chemistry*
  • Pyrazoles / pharmacology
  • Pyridines / chemical synthesis
  • Pyridines / chemistry*
  • Pyridines / pharmacology
  • Pyrimidines / chemical synthesis
  • Pyrimidines / chemistry*
  • Pyrimidines / pharmacology
  • Rats, Sprague-Dawley
  • Ribosomal Protein S6 Kinases, 90-kDa / antagonists & inhibitors*
  • Signal Transduction
  • Structure-Activity Relationship
  • Y-Box-Binding Protein 1 / metabolism

Substances

  • Pyrazoles
  • Pyridines
  • Pyrimidines
  • Y-Box-Binding Protein 1
  • Ribosomal Protein S6 Kinases, 90-kDa